Information card for entry 4102431

Structure parameters

• Formula: C42.75 H120.5 N6 Na O5.25 Si10 U2
• Calculated formula: C41 H107 N6 Na O5.25 Si10 U2
• Title of publication: Synthesis of a Nitrido-Substituted Analogue of the Uranyl Ion, [N=U=O]+
• Authors of publication: Skye Fortier; Guang Wu; Trevor W. Hayton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 6888 - 6889
• a: 13.891 ± 0.002 Å
• b: 22.52 ± 0.003 Å
• c: 22.837 ± 0.003 Å
• α: 90°
• β: 91.564 ± 0.002°
• γ: 90°
• Cell volume: 7141.3 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No